Vitas-M small molecule compound
2-[(3-methylbutyl)sulfanyl]-3-(2-phenylethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
Catalog ID
STK805029
SMILES CC(CCSc1nc2c3ccccc3CC3(c2c(=O)n1CCc1ccccc1)CCCCC3)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H36N2OS MW 472.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H36N2OS/c1-22(2)16-20-34-29-31-27-25-14-8-7-13-24(25)21-30(17-9-4-10-18-30)26(27)28(33)32(29)19-15-23-11-5-3-6-12-23/h3,5-8,11-14,22H,4,9-10,15-21H2,1-2H3InChIKey
YQGMLXUUDGXCFV-UHFFFAOYSA-NSynonyms
380669-04-52((3methylbutyl)sulfanyl)3(2phenylethyl)3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
2(3methylbutylsulfanyl)3(2phenylethyl)spiro(6Hbenzo(h)quinazoline51cyclohexane)4one
2(3METHYLBUTYLSULFANYL)3PHENETHYLSPIRO(6HBENZO(H)QUINAZOLINE51CYCLOHEXANE)4ONE
2(isopentylthio)3phenethyl3Hspiro(benzo(h)quinazoline51cyclohexan)4(6H)one
380669045
CC(C)CCSC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52
InChI=1SC30H36N2OSc122(2)1620342931272514871324(25)2130(1794101830)26(27)28(33)32(29)191523115361223h358111422H49101521H212H3
MFCD01807188
ZINC000002309279
ZINC02309279
ZINC2309279
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